CHEMBRIDGE-ZINC04754947 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 1 0 0 0 0 0999 V2000 0.7500 0.3080 1.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4090 -0.6100 0.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 -1.0790 0.8320 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4180 -1.9000 -0.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7010 -2.2160 -1.0450 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8280 -2.4270 -0.0540 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.2870 -2.1100 0.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8050 -3.9590 -0.1180 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.7970 -4.3510 0.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4000 -4.3700 -1.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5680 -7.2850 -1.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4240 -3.5430 -2.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9990 -4.2400 -3.6540 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7040 -5.5440 -3.2280 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9460 -5.6200 -1.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7830 -6.7220 -1.1600 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8620 -2.1000 -2.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6380 -1.8780 -1.2310 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.8790 -0.3810 -1.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8940 -2.5570 -1.3020 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8090 -4.4940 0.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2430 -4.9630 2.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3300 -5.4540 3.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -5.4760 2.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 -5.0070 1.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4640 -4.5210 0.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8920 -5.0300 1.1490 N 0 3 0 0 0 0 0 0 0 0 0 0 2.6970 -5.4620 1.9550 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2740 -4.6180 0.0680 O 0 5 0 0 0 0 0 0 0 0 0 0 1.7770 0.6600 1.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0720 1.1610 1.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6450 -0.2440 2.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5140 -0.0580 -0.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0870 -1.4630 0.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9120 -3.9020 -4.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9880 -1.4500 -2.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5060 -1.8820 -3.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9210 0.1370 -0.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4560 0.0100 -1.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4310 -0.2220 -0.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4610 -2.2590 -2.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2950 -4.9460 2.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6690 -5.8200 3.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7300 -5.8580 3.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1250 -4.1580 -0.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 18 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 21 1 0 0 0 0 10 12 2 0 0 0 0 10 15 1 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 24 25 2 0 0 0 0 24 44 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 45 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 M CHG 1 27 1 M CHG 1 29 -1 M END